Akdalaite
      Demichelis R, Noel Y, Zicovich-Wilson C M, Roetti C, Valenzano L, Dovesi R
      Journal of Physics: Conference Series 117 (2008) 012013-012013
      Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O):
      Structure and vibrational spectrum,
      Locality: Theoretical structure
      _database_code_amcsd 0013285

      CELL PARAMETERS:    5.6153   5.6153   8.8247   90.000   90.000  120.000
      SPACE GROUP: P6_3mc    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    240.978
      Density (g/cm3):      3.637
      MAX. ABS. INTENSITY / VOLUME**2:      8.694109821    
      RIR:      0.778
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.24          7.18        4.8630    1   0   0         6
                20.12         42.22        4.4124    0   0   2         1
                20.86         12.69        4.2591    1   0   1         6
                27.29         59.48        3.2677    1   0   2         6
                31.87         11.99        2.8077    1   1   0         6
                35.67         61.20        2.5169    1   0   3         6
                36.97         10.99        2.4315    2   0   0         6
                37.99         74.05        2.3688    1   1   2         6
                38.40         44.55        2.3441    2   0   1         6
                40.91          5.31        2.2062    0   0   4         1
                42.45        100.00        2.1296    2   0   2         6
                45.13          1.48        2.0091    1   0   4         6
                48.58         41.86        1.8741    2   0   3         6
                49.60          1.33        1.8380    2   1   0        12
                52.77          2.49        1.7347    1   1   4         6
                54.05         13.58        1.6967    2   1   2        12
                55.38          3.43        1.6591    1   0   5         6
                56.31         24.44        1.6339    2   0   4         6
                56.79          1.65        1.6210    3   0   0         6
                59.28         40.24        1.5588    2   1   3        12
                60.88         16.36        1.5216    3   0   2         6
                63.22          3.84        1.4708    0   0   6         1
                65.33         70.61        1.4283    2   0   5         6
                66.62         70.78        1.4038    2   2   0         6
                70.38          5.32        1.3378    2   2   2         6
                73.41          5.26        1.2898    3   1   2        12
                74.54          3.29        1.2731    2   1   5        12
                75.55          6.03        1.2585    2   0   6         6
                77.92         11.09        1.2260    3   1   3        12
                78.36          5.38        1.2203    1   0   7         6
                78.71          1.89        1.2157    4   0   0         6
                79.60          5.55        1.2044    4   0   1         6
                81.22          1.53        1.1844    2   2   4         6
                82.26          5.58        1.1721    4   0   2         6
                86.65          4.48        1.1236    4   0   3         6
                87.07          3.29        1.1192    2   0   7         6
                88.67          2.79        1.1031    0   0   8         1
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.